Concepedia

Computational study on two-dimensional transition metal borides for enhanced lithium-sulfur battery performance: Insights on anchoring, catalytic activity, and solvation effects

Kaichuang Fei, Qiu He, Mingwei Wu, Jianfeng Liu, Zheng Wei, Wen Luo, Yan Zhao

Journal of Colloid and Interface Science · 2024 · 28 citations · 48 references

DOI

Concepts

References

48

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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Effect of the damping function in dispersion corrected density functional theory

Stefan Grimme, Stephan Ehrlich, Lars Goerigk · Journal of Computational Chemistry · 2011 · 27.1K citations

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A climbing image nudged elastic band method for finding saddle points and minimum energy paths

Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 21.2K citations

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LOBSTER: A tool to extract chemical bonding from plane‐wave based DFT

Stefan Maintz, Volker L. Deringer, Andrei L. Tchougréeff et al. · Journal of Computational Chemistry · 2016 · 3.5K citations · Full text

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Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets

Volker L. Deringer, Andrei L. Tchougréeff, Richard Dronskowski · The Journal of Physical Chemistry A · 2011 · 3.2K citations

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